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DocumentationIdentifier: MM452375
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM452375 |
| SMILES |
N=CNC=COCC=CF
|
| InChIKey |
JBYFBVSYGRCZBF-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215023
Similarity: 0.8158
Similarity to MM215023
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288110
Similarity: 0.6804
Similarity to MM288110
| Tanimoto metric | 0.6804 |
|---|---|
| Cosine metric | 0.8117 |
| Dice metric | 0.8098 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363789
Similarity: 0.6774
Similarity to MM363789
| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.808 |
| Dice metric | 0.8077 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+225 more
